N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide

C24H27N3O4S2 — CID 22422637

IUPACN-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C24H27N3O4S2/c1-31-22-11-6-5-10-21(22)26-13-15-27(16-14-26)24(28)20(18-19-8-3-2-4-9-19)25-33(29,30)23-12-7-17-32-23/h2-12,17,20,25H,13-16,18H2,1H3
InChIKeyPMBQSBHLKRVPQF-UHFFFAOYSA-N
MW485.63 g/mol
LogP3.00
Rot. Bonds8

About N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide

N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide (PubChem CID 22422637) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide
PubChem CID22422637
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC NameN-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C24H27N3O4S2/c1-31-22-11-6-5-10-21(22)26-13-15-27(16-14-26)24(28)20(18-19-8-3-2-4-9-19)25-33(29,30)23-12-7-17-32-23/h2-12,17,20,25H,13-16,18H2,1H3
InChIKeyPMBQSBHLKRVPQF-UHFFFAOYSA-N
XLogP3.00
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide (CID 22422637) is N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide is COc1ccccc1N1CCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
The InChIKey is PMBQSBHLKRVPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-31-22-11-6-5-10-21(22)26-13-15-27(16-14-26)24(28)20(18-19-8-3-2-4-9-19)25-33(29,30)23-12-7-17-32-23/h2-12,17,20,25H,13-16,18H2,1H3.
What are the key properties of N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide?
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide has a molecular weight of 485.63 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 22422637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).